methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate

C10H17N3O2 — CID 124679700

IUPACmethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
SMILESCCc1nn(C)cc1N[C@H](C)C(=O)OC
InChIInChI=1S/C10H17N3O2/c1-5-8-9(6-13(3)12-8)11-7(2)10(14)15-4/h6-7,11H,5H2,1-4H3/t7-/m1/s1
InChIKeyVJVCWGHKEOCZLL-SSDOTTSWSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds4

About methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate

methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate (PubChem CID 124679700) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
PubChem CID124679700
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
SMILESCCc1nn(C)cc1N[C@H](C)C(=O)OC
InChIInChI=1S/C10H17N3O2/c1-5-8-9(6-13(3)12-8)11-7(2)10(14)15-4/h6-7,11H,5H2,1-4H3/t7-/m1/s1
InChIKeyVJVCWGHKEOCZLL-SSDOTTSWSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate (CID 124679700) is methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate is CCc1nn(C)cc1N[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The InChIKey is VJVCWGHKEOCZLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-8-9(6-13(3)12-8)11-7(2)10(14)15-4/h6-7,11H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate is sourced from PubChem (CID 124679700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).